Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification.

Autor: Greene, Samuel M., Webber, Robert J., Smith, James E. T., Weare, Jonathan, Berkelbach, Timothy C.
Zdroj: Journal of Chemical Theory & Computation; 12/13/2022, Vol. 18 Issue 12, p7218-7232, 15p
Databáze: Supplemental Index